============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 4 0.900 -5.069 -12.391 10.222 -99.200 -91.000 TRP 19 1.040 5.484 -5.262 -9.470 -99.200 -91.000 TRP6 19 1.020 4.703 -7.256 -8.481 -99.200 -91.000 TRP 28 1.040 4.249 4.469 -3.284 -99.200 -91.000 TRP6 28 1.020 4.750 3.174 -1.381 -99.200 -91.000 PHE 32 1.000 -0.807 5.681 -0.399 -99.200 -91.000 TYR 35 0.840 1.586 7.297 3.495 -99.200 -91.000 PHE 50 1.000 8.368 1.869 1.848 -99.200 -91.000 HIS 55 0.900 2.355 17.501 4.762 -99.200 -91.000 TRP 63 1.040 2.119 10.878 13.577 -99.200 -91.000 TRP6 63 1.020 0.884 8.960 14.172 -99.200 -91.000 TRP 65 1.040 4.484 4.965 8.563 -99.200 -91.000 TRP6 65 1.020 2.446 5.724 9.472 -99.200 -91.000 PHE 88 1.000 -1.768 -1.214 14.062 -99.200 -91.000 TYR 90 0.840 4.452 -8.600 11.434 -99.200 -91.000 TRP 95 1.040 0.220 -3.629 -0.824 -99.200 -91.000 TRP6 95 1.020 1.736 -2.018 -1.640 -99.200 -91.000 TYR 97 0.840 0.023 -6.034 -7.077 -99.200 -91.000 TRP 108 1.040 -3.688 -2.379 -0.237 -99.200 -91.000 TRP6 108 1.020 -3.215 -0.747 1.400 -99.200 -91.000 PHE 112 1.000 -5.189 -5.537 11.846 -99.200 -91.000 TRP 124 1.040 -14.583 -0.808 15.877 -99.200 -91.000 TRP6 124 1.020 -16.857 -0.258 15.584 -99.200 -91.000 HIS 162 0.900 10.688 -8.259 -40.858 -99.200 -91.000 HIS 163 0.900 19.363 -8.558 -46.235 -99.200 -91.000 HIS 164 0.900 20.284 -2.731 -40.589 -99.200 -91.000 HIS 165 0.900 16.611 -7.813 -35.041 -99.200 -91.000 HIS 166 0.900 16.710 -14.215 -40.756 -99.200 -91.000 HIS 167 0.900 11.935 -13.945 -35.410 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kf2A12 MET 1 HA 0.01 -0.08 0.23 -0.75 4.52 3.91 2kf2A12 MET 1 HB2 0.01 0.01 0.06 -0.04 2.15 2.19 2kf2A12 MET 1 HB3 0.00 -0.02 -0.07 -0.04 2.03 1.91 2kf2A12 MET 1 HG2 0.01 -0.01 0.03 -0.04 2.63 2.62 2kf2A12 MET 1 HG3 0.01 -0.00 0.04 -0.04 2.56 2.56 2kf2A12 MET 1 HE3 0.01 -0.00 0.01 -0.04 2.10 2.07 2kf2A12 ALA 2 H -0.01 0.16 0.10 -0.55 8.40 8.10 2kf2A12 ALA 2 HA -0.13 0.14 1.17 -0.75 4.34 4.77 2kf2A12 ALA 2 HB3 -0.09 -0.00 -0.10 -0.04 1.41 1.17 2kf2A12 GLY 3 H -0.51 0.63 0.40 -0.55 8.43 8.41 2kf2A12 GLY 3 HA2 -0.30 0.04 0.67 -0.51 4.01 3.91 2kf2A12 GLY 3 HA3 -0.86 -0.04 0.38 -0.51 4.01 2.99 2kf2A12 HIS 4 H -0.14 0.10 0.14 -0.55 8.41 7.97 2kf2A12 HIS 4 HA -0.16 0.42 1.02 -0.75 4.63 5.15 2kf2A12 HIS 4 HB2 -0.05 -0.04 0.11 -0.04 3.26 3.24 2kf2A12 HIS 4 HB3 -0.02 -0.02 -0.05 -0.04 3.20 3.07 2kf2A12 HIS 4 HD2 -0.03 -0.01 -0.08 -0.04 6.97 6.80 2kf2A12 HIS 4 HE1 -0.05 -0.02 -0.08 -0.04 7.75 7.55 2kf2A12 THR 5 H 0.23 0.55 0.18 -0.55 8.28 8.69 2kf2A12 THR 5 HA 0.16 0.16 0.99 -0.75 4.39 4.94 2kf2A12 THR 5 HB 0.30 -0.01 0.13 -0.04 4.32 4.71 2kf2A12 THR 5 HG23 0.13 0.01 -0.11 -0.04 1.22 1.21 2kf2A12 ASP 6 H 0.12 0.21 0.07 -0.55 8.40 8.24 2kf2A12 ASP 6 HA 0.15 0.34 0.99 -0.75 4.63 5.37 2kf2A12 ASP 6 HB2 0.09 0.00 -0.12 -0.04 2.71 2.64 2kf2A12 ASP 6 HB3 0.09 -0.01 -0.07 -0.04 2.70 2.67 2kf2A12 ASN 7 H 0.20 0.78 0.15 -0.55 8.53 9.12 2kf2A12 ASN 7 HA 0.05 0.16 0.99 -0.75 4.76 5.21 2kf2A12 ASN 7 HB2 0.07 -0.01 0.02 -0.04 2.88 2.91 2kf2A12 ASN 7 HB3 0.13 -0.01 0.17 -0.04 2.79 3.04 2kf2A12 ASN 7 HD21 -0.15 -0.05 -0.19 -0.04 7.03 6.59 2kf2A12 ASN 7 HD22 -0.16 0.02 -0.26 -0.04 7.74 7.30 2kf2A12 GLU 8 H 0.03 0.21 0.05 -0.55 8.60 8.35 2kf2A12 GLU 8 HA 0.03 0.19 0.74 -0.75 4.29 4.50 2kf2A12 GLU 8 HB2 0.01 0.00 0.10 -0.04 2.09 2.16 2kf2A12 GLU 8 HB3 0.02 0.01 -0.12 -0.04 1.99 1.86 2kf2A12 GLU 8 HG2 0.04 0.01 -0.14 -0.04 2.34 2.21 2kf2A12 GLU 8 HG3 0.05 -0.06 -0.20 -0.04 2.34 2.08 2kf2A12 ILE 9 H -0.03 0.74 0.30 -0.55 8.25 8.71 2kf2A12 ILE 9 HA -0.05 0.13 0.90 -0.75 4.18 4.40 2kf2A12 ILE 9 HB -0.14 0.00 -0.13 -0.04 1.89 1.58 2kf2A12 ILE 9 HG12 -0.10 0.02 -0.39 -0.04 1.49 0.98 2kf2A12 ILE 9 HG13 -0.09 -0.02 0.00 -0.04 1.21 1.07 2kf2A12 ILE 9 HG23 -0.19 0.01 0.03 -0.04 0.93 0.74 2kf2A12 ILE 9 HD13 -0.17 0.02 -0.18 -0.04 0.88 0.51 2kf2A12 THR 10 H -0.03 0.17 0.04 -0.55 8.28 7.91 2kf2A12 THR 10 HA 0.00 0.14 0.66 -0.75 4.39 4.43 2kf2A12 THR 10 HB -0.01 0.02 0.00 -0.04 4.32 4.29 2kf2A12 THR 10 HG23 0.01 0.01 -0.59 -0.04 1.22 0.61 2kf2A12 ILE 11 H 0.01 0.78 0.23 -0.55 8.25 8.72 2kf2A12 ILE 11 HA -0.03 0.14 0.84 -0.75 4.18 4.37 2kf2A12 ILE 11 HB 0.02 -0.01 0.17 -0.04 1.89 2.03 2kf2A12 ILE 11 HG12 -0.08 0.02 -0.09 -0.04 1.49 1.30 2kf2A12 ILE 11 HG13 -0.05 0.08 -0.08 -0.04 1.21 1.12 2kf2A12 ILE 11 HG23 -0.02 -0.00 -0.17 -0.04 0.93 0.70 2kf2A12 ILE 11 HD13 -0.07 -0.00 -0.04 -0.04 0.88 0.72 2kf2A12 ALA 12 H -0.02 0.20 0.09 -0.55 8.40 8.13 2kf2A12 ALA 12 HA 0.01 0.14 0.67 -0.75 4.34 4.40 2kf2A12 ALA 12 HB3 -0.01 0.01 0.17 -0.04 1.41 1.54 2kf2A12 ALA 13 H 0.02 0.40 0.26 -0.55 8.40 8.53 2kf2A12 ALA 13 HA 0.01 0.16 0.48 -0.75 4.34 4.23 2kf2A12 ALA 13 HB3 0.01 0.03 -0.17 -0.04 1.41 1.24 2kf2A12 PRO 14 HA 0.03 0.07 0.51 -0.51 4.44 4.54 2kf2A12 PRO 14 HB2 0.02 -0.14 0.11 -0.04 2.28 2.24 2kf2A12 PRO 14 HB3 0.02 0.05 0.15 -0.04 2.02 2.20 2kf2A12 PRO 14 HG2 0.01 0.11 0.16 -0.04 2.03 2.27 2kf2A12 PRO 14 HG3 0.01 0.08 0.12 -0.04 2.03 2.21 2kf2A12 PRO 14 HD2 0.02 0.15 0.23 -0.04 3.68 4.04 2kf2A12 PRO 14 HD3 0.01 0.22 0.18 -0.04 3.65 4.03 2kf2A12 MET 15 H 0.04 0.21 0.23 -0.55 8.47 8.40 2kf2A12 MET 15 HA 0.09 0.10 0.35 -0.75 4.52 4.31 2kf2A12 MET 15 HB2 0.04 -0.01 0.09 -0.04 2.15 2.23 2kf2A12 MET 15 HB3 0.08 0.06 0.03 -0.04 2.03 2.15 2kf2A12 MET 15 HG2 0.11 0.04 0.05 -0.04 2.63 2.79 2kf2A12 MET 15 HG3 0.06 -0.01 0.13 -0.04 2.56 2.70 2kf2A12 MET 15 HE3 0.13 0.01 -0.10 -0.04 2.10 2.10 2kf2A12 GLU 16 H 0.03 0.06 -0.28 -0.55 8.60 7.86 2kf2A12 GLU 16 HA 0.01 0.09 0.37 -0.75 4.29 4.00 2kf2A12 GLU 16 HB2 0.02 -0.00 0.01 -0.04 2.09 2.07 2kf2A12 GLU 16 HB3 0.01 0.08 0.00 -0.04 1.99 2.04 2kf2A12 GLU 16 HG2 -0.01 0.08 0.03 -0.04 2.34 2.40 2kf2A12 GLU 16 HG3 -0.01 0.00 0.04 -0.04 2.34 2.33 2kf2A12 LEU 17 H 0.04 0.22 -0.28 -0.55 8.37 7.81 2kf2A12 LEU 17 HA 0.06 0.11 0.46 -0.75 4.35 4.22 2kf2A12 LEU 17 HB2 0.03 0.05 0.07 -0.04 1.64 1.75 2kf2A12 LEU 17 HB3 0.03 0.05 -0.07 -0.04 1.64 1.62 2kf2A12 LEU 17 HG 0.03 -0.00 -0.12 -0.04 1.64 1.51 2kf2A12 LEU 17 HD13 0.02 -0.06 -0.13 -0.04 0.93 0.72 2kf2A12 LEU 17 HD23 0.02 0.02 -0.09 -0.04 0.89 0.79 2kf2A12 VAL 18 H 0.07 0.52 -0.11 -0.55 8.24 8.17 2kf2A12 VAL 18 HA 0.05 0.07 0.34 -0.75 4.13 3.84 2kf2A12 VAL 18 HB 0.09 -0.03 0.08 -0.04 2.12 2.23 2kf2A12 VAL 18 HG13 0.15 -0.00 -0.14 -0.04 0.97 0.94 2kf2A12 VAL 18 HG23 0.06 0.07 -0.21 -0.04 0.95 0.83 2kf2A12 TRP 19 H 0.18 0.62 -0.19 -0.55 7.97 8.03 2kf2A12 TRP 19 HA -0.17 0.04 0.38 -0.75 4.62 4.12 2kf2A12 TRP 19 HB2 -0.21 0.04 0.07 -0.04 3.23 3.08 2kf2A12 TRP 19 HB3 -0.07 0.09 0.05 -0.04 3.23 3.25 2kf2A12 TRP 19 HD1 0.00 0.01 -0.30 -0.04 7.22 6.89 2kf2A12 TRP 19 HE1 0.04 0.01 -0.11 -0.04 10.20 10.10 2kf2A12 TRP 19 HE3 -0.46 0.00 -0.06 -0.04 7.59 7.04 2kf2A12 TRP 19 HZ2 0.06 -0.06 -0.44 -0.04 7.44 6.96 2kf2A12 TRP 19 HZ3 0.05 0.08 -0.05 -0.04 7.13 7.17 2kf2A12 TRP 19 HH2 0.11 0.03 -0.37 -0.04 7.19 6.92 2kf2A12 THR 20 H 0.20 0.36 -0.24 -0.55 8.28 8.06 2kf2A12 THR 20 HA 0.22 -0.01 0.26 -0.75 4.39 4.11 2kf2A12 THR 20 HB 0.11 0.17 0.16 -0.04 4.32 4.72 2kf2A12 THR 20 HG23 0.07 -0.01 -0.08 -0.04 1.22 1.16 2kf2A12 MET 21 H 0.10 0.44 -0.50 -0.55 8.47 7.97 2kf2A12 MET 21 HA 0.10 0.09 0.60 -0.75 4.52 4.55 2kf2A12 MET 21 HB2 0.05 0.07 0.08 -0.04 2.15 2.31 2kf2A12 MET 21 HB3 0.05 -0.02 -0.06 -0.04 2.03 1.96 2kf2A12 MET 21 HG2 0.05 0.09 -0.02 -0.04 2.63 2.71 2kf2A12 MET 21 HG3 0.03 -0.06 -0.05 -0.04 2.56 2.44 2kf2A12 MET 21 HE3 0.03 0.01 -0.08 -0.04 2.10 2.02 2kf2A12 THR 22 H 0.08 0.38 -0.12 -0.55 8.28 8.08 2kf2A12 THR 22 HA 0.31 0.10 0.40 -0.75 4.39 4.45 2kf2A12 THR 22 HB 0.14 -0.06 -0.06 -0.04 4.32 4.29 2kf2A12 THR 22 HG23 -0.09 0.01 -0.04 -0.04 1.22 1.05 2kf2A12 ASN 23 H 0.09 0.67 -0.08 -0.55 8.53 8.66 2kf2A12 ASN 23 HA 0.14 0.01 0.35 -0.75 4.76 4.50 2kf2A12 ASN 23 HB2 0.03 -0.00 0.02 -0.04 2.88 2.89 2kf2A12 ASN 23 HB3 0.21 0.03 -0.02 -0.04 2.79 2.97 2kf2A12 ASN 23 HD21 0.29 0.01 -0.10 -0.04 7.03 7.19 2kf2A12 ASN 23 HD22 0.20 -0.02 -0.06 -0.04 7.74 7.82 2kf2A12 ASP 24 H 0.11 0.26 -0.61 -0.55 8.40 7.62 2kf2A12 ASP 24 HA -0.07 -0.02 0.46 -0.75 4.63 4.24 2kf2A12 ASP 24 HB2 0.05 0.29 0.16 -0.04 2.71 3.17 2kf2A12 ASP 24 HB3 0.05 0.07 0.18 -0.04 2.70 2.96 2kf2A12 ILE 25 H -0.39 0.33 0.24 -0.55 8.25 7.88 2kf2A12 ILE 25 HA -2.34 0.17 0.31 -0.75 4.18 1.56 2kf2A12 ILE 25 HB -1.63 -0.05 0.03 -0.04 1.89 0.20 2kf2A12 ILE 25 HG12 -0.41 0.03 0.11 -0.04 1.49 1.17 2kf2A12 ILE 25 HG13 -0.44 0.01 -0.19 -0.04 1.21 0.55 2kf2A12 ILE 25 HG23 -1.53 0.08 -0.02 -0.04 0.93 -0.58 2kf2A12 ILE 25 HD13 -0.36 -0.01 -0.08 -0.04 0.88 0.38 2kf2A12 GLU 26 H -0.26 0.09 -0.33 -0.55 8.60 7.55 2kf2A12 GLU 26 HA -0.13 0.11 0.43 -0.75 4.29 3.95 2kf2A12 GLU 26 HB2 -0.07 0.02 -0.01 -0.04 2.09 1.99 2kf2A12 GLU 26 HB3 -0.05 0.04 0.10 -0.04 1.99 2.04 2kf2A12 GLU 26 HG2 -0.08 0.05 0.04 -0.04 2.34 2.30 2kf2A12 GLU 26 HG3 -0.14 -0.09 0.02 -0.04 2.34 2.08 2kf2A12 LYS 27 H -0.09 0.31 -0.69 -0.55 8.42 7.40 2kf2A12 LYS 27 HA 0.07 0.16 0.74 -0.75 4.32 4.54 2kf2A12 LYS 27 HB2 0.11 0.28 0.03 -0.04 1.87 2.25 2kf2A12 LYS 27 HB3 0.10 0.00 0.05 -0.04 1.79 1.90 2kf2A12 LYS 27 HG2 0.04 0.01 -0.07 -0.04 1.46 1.39 2kf2A12 LYS 27 HG3 0.02 -0.14 -0.21 -0.04 1.46 1.09 2kf2A12 LYS 27 HD2 0.05 0.06 0.00 -0.04 1.69 1.77 2kf2A12 LYS 27 HD3 0.05 0.02 -0.02 -0.04 1.68 1.70 2kf2A12 LYS 27 HE2 0.03 0.00 -0.04 -0.04 2.99 2.94 2kf2A12 LYS 27 HE3 0.03 -0.00 -0.04 -0.04 2.99 2.93 2kf2A12 TRP 28 H 0.15 0.28 -0.32 -0.55 7.97 7.53 2kf2A12 TRP 28 HA 0.12 0.05 0.35 -0.75 4.62 4.39 2kf2A12 TRP 28 HB2 0.03 0.18 0.07 -0.04 3.23 3.47 2kf2A12 TRP 28 HB3 0.23 -0.11 -0.05 -0.04 3.23 3.26 2kf2A12 TRP 28 HD1 0.05 0.03 -0.17 -0.04 7.22 7.10 2kf2A12 TRP 28 HE1 0.09 0.25 -0.13 -0.04 10.20 10.37 2kf2A12 TRP 28 HE3 -0.24 -0.03 -0.07 -0.04 7.59 7.21 2kf2A12 TRP 28 HZ2 0.38 0.14 -0.06 -0.04 7.44 7.85 2kf2A12 TRP 28 HZ3 -0.32 -0.05 -0.09 -0.04 7.13 6.63 2kf2A12 TRP 28 HH2 0.01 -0.05 -0.08 -0.04 7.19 7.03 2kf2A12 PRO 29 HA 0.22 0.35 0.40 -0.51 4.44 4.90 2kf2A12 PRO 29 HB2 0.10 -0.00 -0.09 -0.04 2.28 2.25 2kf2A12 PRO 29 HB3 0.11 0.23 0.05 -0.04 2.02 2.37 2kf2A12 PRO 29 HG2 0.08 0.05 -0.02 -0.04 2.03 2.09 2kf2A12 PRO 29 HG3 0.13 -0.07 -0.27 -0.04 2.03 1.77 2kf2A12 PRO 29 HD2 0.14 0.12 -0.44 -0.04 3.68 3.46 2kf2A12 PRO 29 HD3 0.21 0.10 -0.08 -0.04 3.65 3.84 2kf2A12 GLY 30 H 0.15 0.24 -0.65 -0.55 8.43 7.62 2kf2A12 GLY 30 HA2 0.08 0.18 0.76 -0.51 4.01 4.52 2kf2A12 GLY 30 HA3 0.07 -0.06 0.29 -0.51 4.01 3.81 2kf2A12 LEU 31 H 0.16 0.29 -0.43 -0.55 8.37 7.84 2kf2A12 LEU 31 HA -0.03 0.12 0.84 -0.75 4.35 4.53 2kf2A12 LEU 31 HB2 0.11 0.15 -0.17 -0.04 1.64 1.68 2kf2A12 LEU 31 HB3 0.08 -0.09 0.10 -0.04 1.64 1.69 2kf2A12 LEU 31 HG -0.37 -0.09 -0.13 -0.04 1.64 1.01 2kf2A12 LEU 31 HD13 -0.08 0.00 0.01 -0.04 0.93 0.82 2kf2A12 LEU 31 HD23 -0.12 0.00 -0.15 -0.04 0.89 0.58 2kf2A12 PHE 32 H 0.25 0.77 0.25 -0.55 8.34 9.06 2kf2A12 PHE 32 HA 0.00 0.12 0.74 -0.75 4.62 4.72 2kf2A12 PHE 32 HB2 0.22 0.23 0.08 -0.04 3.15 3.64 2kf2A12 PHE 32 HB3 0.25 -0.37 0.14 -0.04 3.06 3.04 2kf2A12 PHE 32 HD2 -0.12 -0.04 0.04 -0.04 7.28 7.12 2kf2A12 PHE 32 HE2 -0.47 0.00 -0.05 -0.04 7.38 6.82 2kf2A12 PHE 32 HZ 0.05 -0.01 -0.06 -0.04 7.32 7.26 2kf2A12 SER 33 H 0.35 -0.10 0.17 -0.55 8.46 8.34 2kf2A12 SER 33 HA 0.09 0.35 0.89 -0.75 4.49 5.06 2kf2A12 SER 33 HB2 0.05 -0.09 0.07 -0.04 3.95 3.94 2kf2A12 SER 33 HB3 0.02 0.02 0.01 -0.04 3.93 3.94 2kf2A12 GLU 34 H -0.00 -0.07 0.16 -0.55 8.60 8.14 2kf2A12 GLU 34 HA -0.06 0.17 0.51 -0.75 4.29 4.16 2kf2A12 GLU 34 HB2 -0.65 -0.01 0.06 -0.04 2.09 1.45 2kf2A12 GLU 34 HB3 -0.33 0.00 0.08 -0.04 1.99 1.71 2kf2A12 GLU 34 HG2 -0.11 0.06 -0.02 -0.04 2.34 2.22 2kf2A12 GLU 34 HG3 -0.09 -0.07 0.05 -0.04 2.34 2.19 2kf2A12 TYR 35 H -0.01 -0.06 -0.17 -0.55 8.29 7.50 2kf2A12 TYR 35 HA -0.05 0.17 0.50 -0.75 4.56 4.42 2kf2A12 TYR 35 HB2 0.10 0.01 -0.06 -0.04 3.06 3.07 2kf2A12 TYR 35 HB3 0.07 0.06 -0.16 -0.04 2.98 2.92 2kf2A12 TYR 35 HD2 -0.41 0.01 -0.14 -0.04 7.15 6.57 2kf2A12 TYR 35 HE2 -0.49 0.02 -0.06 -0.04 6.85 6.28 2kf2A12 ALA 36 H -0.04 0.48 0.37 -0.55 8.40 8.66 2kf2A12 ALA 36 HA 0.09 0.17 0.55 -0.75 4.34 4.39 2kf2A12 ALA 36 HB3 -0.20 0.00 0.01 -0.04 1.41 1.19 2kf2A12 SER 37 H 0.03 0.43 0.19 -0.55 8.46 8.55 2kf2A12 SER 37 HA 0.05 0.19 0.86 -0.75 4.49 4.83 2kf2A12 SER 37 HB2 -0.01 0.05 -0.18 -0.04 3.95 3.77 2kf2A12 SER 37 HB3 -0.01 -0.04 0.04 -0.04 3.93 3.88 2kf2A12 VAL 38 H 0.03 0.24 0.05 -0.55 8.24 8.01 2kf2A12 VAL 38 HA 0.07 0.19 0.94 -0.75 4.13 4.58 2kf2A12 VAL 38 HB -0.08 0.03 0.12 -0.04 2.12 2.15 2kf2A12 VAL 38 HG13 -0.34 -0.03 -0.20 -0.04 0.97 0.36 2kf2A12 VAL 38 HG23 0.13 0.03 -0.17 -0.04 0.95 0.90 2kf2A12 GLU 39 H 0.07 0.72 0.14 -0.55 8.60 8.99 2kf2A12 GLU 39 HA 0.02 0.14 0.63 -0.75 4.29 4.32 2kf2A12 GLU 39 HB2 0.02 0.01 -0.01 -0.04 2.09 2.07 2kf2A12 GLU 39 HB3 0.04 -0.02 0.19 -0.04 1.99 2.15 2kf2A12 GLU 39 HG2 0.02 -0.01 -0.25 -0.04 2.34 2.06 2kf2A12 GLU 39 HG3 0.01 0.04 -0.06 -0.04 2.34 2.29 2kf2A12 VAL 40 H 0.01 0.28 0.18 -0.55 8.24 8.16 2kf2A12 VAL 40 HA 0.09 0.03 0.70 -0.75 4.13 4.19 2kf2A12 VAL 40 HB -0.00 0.01 0.14 -0.04 2.12 2.23 2kf2A12 VAL 40 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.75 2kf2A12 VAL 40 HG23 -0.04 0.03 -0.02 -0.04 0.95 0.87 2kf2A12 LEU 41 H 0.04 0.34 0.47 -0.55 8.37 8.67 2kf2A12 LEU 41 HA 0.01 0.06 0.56 -0.75 4.35 4.23 2kf2A12 LEU 41 HB2 -0.00 0.05 0.10 -0.04 1.64 1.74 2kf2A12 LEU 41 HB3 0.00 -0.04 0.07 -0.04 1.64 1.63 2kf2A12 LEU 41 HG 0.02 0.04 0.04 -0.04 1.64 1.71 2kf2A12 LEU 41 HD13 -0.00 -0.02 -0.06 -0.04 0.93 0.80 2kf2A12 LEU 41 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.78 2kf2A12 GLY 42 H 0.02 0.48 0.18 -0.55 8.43 8.56 2kf2A12 GLY 42 HA2 0.01 0.08 0.28 -0.51 4.01 3.87 2kf2A12 GLY 42 HA3 0.00 0.06 0.42 -0.51 4.01 3.98 2kf2A12 ARG 43 H 0.01 0.27 0.16 -0.55 8.46 8.34 2kf2A12 ARG 43 HA 0.01 0.08 0.90 -0.75 4.34 4.57 2kf2A12 ARG 43 HB2 0.02 0.09 0.03 -0.04 1.90 2.00 2kf2A12 ARG 43 HB3 0.02 0.01 -0.11 -0.04 1.80 1.68 2kf2A12 ARG 43 HG2 0.01 -0.06 -0.02 -0.04 1.67 1.55 2kf2A12 ARG 43 HG3 0.01 0.04 -0.12 -0.04 1.67 1.56 2kf2A12 ARG 43 HD2 0.01 0.05 -0.07 -0.04 3.22 3.16 2kf2A12 ARG 43 HD3 -0.01 -0.03 -0.08 -0.04 3.22 3.07 2kf2A12 ASP 44 H 0.01 0.92 0.31 -0.55 8.40 9.09 2kf2A12 ASP 44 HA 0.01 0.20 0.85 -0.75 4.63 4.93 2kf2A12 ASP 44 HB2 0.01 -0.04 0.19 -0.04 2.71 2.82 2kf2A12 ASP 44 HB3 0.01 -0.09 0.20 -0.04 2.70 2.77 2kf2A12 ASP 45 H 0.01 0.16 0.17 -0.55 8.40 8.19 2kf2A12 ASP 45 HA 0.02 0.12 0.27 -0.75 4.63 4.28 2kf2A12 ASP 45 HB2 0.01 -0.05 0.13 -0.04 2.71 2.76 2kf2A12 ASP 45 HB3 0.02 0.06 0.05 -0.04 2.70 2.79 2kf2A12 ASP 46 H 0.02 -0.05 -0.26 -0.55 8.40 7.56 2kf2A12 ASP 46 HA 0.06 0.31 0.91 -0.75 4.63 5.15 2kf2A12 ASP 46 HB2 0.06 0.02 0.12 -0.04 2.71 2.87 2kf2A12 ASP 46 HB3 0.04 0.03 -0.07 -0.04 2.70 2.66 2kf2A12 LYS 47 H 0.02 0.13 -0.32 -0.55 8.42 7.70 2kf2A12 LYS 47 HA 0.01 0.33 0.99 -0.75 4.32 4.90 2kf2A12 LYS 47 HB2 0.00 -0.12 0.14 -0.04 1.87 1.86 2kf2A12 LYS 47 HB3 -0.01 0.06 -0.05 -0.04 1.79 1.75 2kf2A12 LYS 47 HG2 0.00 0.11 -0.18 -0.04 1.46 1.35 2kf2A12 LYS 47 HG3 0.01 -0.16 -0.34 -0.04 1.46 0.93 2kf2A12 LYS 47 HD2 -0.00 -0.05 -0.03 -0.04 1.69 1.57 2kf2A12 LYS 47 HD3 -0.01 0.04 -0.06 -0.04 1.68 1.61 2kf2A12 LYS 47 HE2 -0.00 0.02 -0.04 -0.04 2.99 2.93 2kf2A12 LYS 47 HE3 0.00 0.04 -0.06 -0.04 2.99 2.93 2kf2A12 VAL 48 H 0.04 0.74 0.31 -0.55 8.24 8.78 2kf2A12 VAL 48 HA 0.03 0.02 1.03 -0.75 4.13 4.46 2kf2A12 VAL 48 HB 0.05 0.03 0.06 -0.04 2.12 2.23 2kf2A12 VAL 48 HG13 0.17 0.05 0.17 -0.04 0.97 1.33 2kf2A12 VAL 48 HG23 0.13 -0.01 -0.12 -0.04 0.95 0.91 2kf2A12 THR 49 H 0.01 0.59 0.48 -0.55 8.28 8.82 2kf2A12 THR 49 HA -0.19 0.20 1.06 -0.75 4.39 4.71 2kf2A12 THR 49 HB -0.03 -0.02 0.24 -0.04 4.32 4.47 2kf2A12 THR 49 HG23 -0.08 -0.01 -0.11 -0.04 1.22 0.98 2kf2A12 PHE 50 H -0.63 0.68 0.35 -0.55 8.34 8.19 2kf2A12 PHE 50 HA -0.03 0.06 1.09 -0.75 4.62 5.00 2kf2A12 PHE 50 HB2 -0.07 -0.01 -0.22 -0.04 3.15 2.81 2kf2A12 PHE 50 HB3 -0.11 -0.03 -0.17 -0.04 3.06 2.72 2kf2A12 PHE 50 HD2 -0.01 -0.06 -0.27 -0.04 7.28 6.91 2kf2A12 PHE 50 HE2 0.15 -0.03 -0.06 -0.04 7.38 7.40 2kf2A12 PHE 50 HZ 0.25 -0.02 -0.13 -0.04 7.32 7.37 2kf2A12 ARG 51 H 0.15 0.77 0.21 -0.55 8.46 9.04 2kf2A12 ARG 51 HA 0.13 0.26 1.05 -0.75 4.34 5.03 2kf2A12 ARG 51 HB2 0.05 -0.02 -0.03 -0.04 1.90 1.86 2kf2A12 ARG 51 HB3 0.06 -0.03 0.07 -0.04 1.80 1.86 2kf2A12 ARG 51 HG2 0.04 -0.03 -0.57 -0.04 1.67 1.07 2kf2A12 ARG 51 HG3 0.08 -0.09 -0.73 -0.04 1.67 0.89 2kf2A12 ARG 51 HD2 0.02 -0.03 -0.10 -0.04 3.22 3.07 2kf2A12 ARG 51 HD3 0.01 -0.00 -0.13 -0.04 3.22 3.06 2kf2A12 LEU 52 H 0.26 0.65 0.20 -0.55 8.37 8.94 2kf2A12 LEU 52 HA 0.16 0.15 0.74 -0.75 4.35 4.64 2kf2A12 LEU 52 HB2 0.20 -0.01 0.21 -0.04 1.64 2.00 2kf2A12 LEU 52 HB3 0.18 0.01 -0.02 -0.04 1.64 1.77 2kf2A12 LEU 52 HG 0.68 -0.01 -0.11 -0.04 1.64 2.15 2kf2A12 LEU 52 HD13 0.28 -0.00 -0.06 -0.04 0.93 1.11 2kf2A12 LEU 52 HD23 0.11 0.01 -0.08 -0.04 0.89 0.89 2kf2A12 THR 53 H 0.06 0.68 0.39 -0.55 8.28 8.86 2kf2A12 THR 53 HA -0.11 0.10 0.82 -0.75 4.39 4.45 2kf2A12 THR 53 HB -0.03 -0.07 0.21 -0.04 4.32 4.39 2kf2A12 THR 53 HG23 -0.07 0.06 -0.11 -0.04 1.22 1.05 2kf2A12 MET 54 H -0.17 0.75 0.26 -0.55 8.47 8.76 2kf2A12 MET 54 HA -0.18 0.22 0.98 -0.75 4.52 4.78 2kf2A12 MET 54 HB2 -0.14 0.01 0.21 -0.04 2.15 2.19 2kf2A12 MET 54 HB3 -0.16 -0.17 0.30 -0.04 2.03 1.96 2kf2A12 MET 54 HG2 -0.44 0.04 -0.20 -0.04 2.63 1.99 2kf2A12 MET 54 HG3 -0.44 0.07 -0.05 -0.04 2.56 2.10 2kf2A12 MET 54 HE3 -0.37 -0.03 -0.06 -0.04 2.10 1.61 2kf2A12 HIS 55 H -0.01 0.13 0.20 -0.55 8.41 8.19 2kf2A12 HIS 55 HA -0.02 0.21 0.84 -0.75 4.63 4.91 2kf2A12 HIS 55 HB2 -0.06 -0.04 0.07 -0.04 3.26 3.19 2kf2A12 HIS 55 HB3 -0.03 0.07 0.08 -0.04 3.20 3.28 2kf2A12 HIS 55 HD2 -0.06 0.05 0.04 -0.04 6.97 6.96 2kf2A12 HIS 55 HE1 -0.00 -0.01 -0.03 -0.04 7.75 7.67 2kf2A12 PRO 56 HA 0.10 0.05 0.13 -0.51 4.44 4.20 2kf2A12 PRO 56 HB2 0.05 0.02 0.07 -0.04 2.28 2.37 2kf2A12 PRO 56 HB3 0.06 0.07 -0.10 -0.04 2.02 2.01 2kf2A12 PRO 56 HG2 0.06 0.03 0.06 -0.04 2.03 2.14 2kf2A12 PRO 56 HG3 0.05 0.03 0.03 -0.04 2.03 2.10 2kf2A12 PRO 56 HD2 0.14 0.10 0.18 -0.04 3.68 4.05 2kf2A12 PRO 56 HD3 0.07 0.16 0.19 -0.04 3.65 4.03 2kf2A12 ASP 57 H 0.13 0.75 0.30 -0.55 8.40 9.03 2kf2A12 ASP 57 HA -0.08 0.17 0.50 -0.75 4.63 4.47 2kf2A12 ASP 57 HB2 -0.35 0.13 0.22 -0.04 2.71 2.68 2kf2A12 ASP 57 HB3 0.10 -0.16 0.14 -0.04 2.70 2.74 2kf2A12 ALA 58 H -0.04 0.16 0.18 -0.55 8.40 8.15 2kf2A12 ALA 58 HA 0.01 0.16 0.30 -0.75 4.34 4.05 2kf2A12 ALA 58 HB3 0.00 0.02 0.11 -0.04 1.41 1.50 2kf2A12 ASP 59 H 0.10 0.02 -0.21 -0.55 8.40 7.76 2kf2A12 ASP 59 HA 0.07 0.16 0.46 -0.75 4.63 4.57 2kf2A12 ASP 59 HB2 0.23 -0.09 0.03 -0.04 2.71 2.83 2kf2A12 ASP 59 HB3 0.12 0.07 0.09 -0.04 2.70 2.93 2kf2A12 GLY 60 H 0.08 0.46 -0.73 -0.55 8.43 7.69 2kf2A12 GLY 60 HA2 0.06 0.10 0.19 -0.51 4.01 3.85 2kf2A12 GLY 60 HA3 0.05 0.14 0.63 -0.51 4.01 4.32 2kf2A12 LYS 61 H 0.17 -0.09 -0.47 -0.55 8.42 7.48 2kf2A12 LYS 61 HA 0.09 0.14 0.48 -0.75 4.32 4.28 2kf2A12 LYS 61 HB2 0.49 -0.13 0.03 -0.04 1.87 2.23 2kf2A12 LYS 61 HB3 0.04 0.05 -0.17 -0.04 1.79 1.67 2kf2A12 LYS 61 HG2 0.01 0.07 -0.08 -0.04 1.46 1.42 2kf2A12 LYS 61 HG3 0.11 0.04 -0.15 -0.04 1.46 1.42 2kf2A12 LYS 61 HD2 0.20 -0.06 -0.04 -0.04 1.69 1.76 2kf2A12 LYS 61 HD3 -0.18 0.01 -0.07 -0.04 1.68 1.40 2kf2A12 LYS 61 HE2 0.03 0.03 -0.04 -0.04 2.99 2.97 2kf2A12 LYS 61 HE3 -0.02 -0.00 -0.03 -0.04 2.99 2.90 2kf2A12 VAL 62 H 0.07 0.23 0.10 -0.55 8.24 8.09 2kf2A12 VAL 62 HA 0.13 0.12 0.55 -0.75 4.13 4.18 2kf2A12 VAL 62 HB 0.02 -0.02 0.14 -0.04 2.12 2.22 2kf2A12 VAL 62 HG13 -0.01 0.01 -0.22 -0.04 0.97 0.71 2kf2A12 VAL 62 HG23 0.04 0.02 -0.01 -0.04 0.95 0.96 2kf2A12 TRP 63 H 0.35 0.31 -0.09 -0.55 7.97 7.99 2kf2A12 TRP 63 HA -0.09 0.03 0.28 -0.75 4.62 4.08 2kf2A12 TRP 63 HB2 -0.24 0.02 0.18 -0.04 3.23 3.15 2kf2A12 TRP 63 HB3 -0.44 0.03 0.03 -0.04 3.23 2.81 2kf2A12 TRP 63 HD1 -0.03 0.17 -0.22 -0.04 7.22 7.10 2kf2A12 TRP 63 HE1 0.03 -0.10 -0.01 -0.04 10.20 10.08 2kf2A12 TRP 63 HE3 0.49 0.02 -0.02 -0.04 7.59 8.03 2kf2A12 TRP 63 HZ2 0.08 -0.03 -0.00 -0.04 7.44 7.45 2kf2A12 TRP 63 HZ3 0.38 0.04 -0.00 -0.04 7.13 7.50 2kf2A12 TRP 63 HH2 0.14 0.01 0.00 -0.04 7.19 7.30 2kf2A12 SER 64 H -0.09 0.29 0.24 -0.55 8.46 8.35 2kf2A12 SER 64 HA -0.25 0.58 0.96 -0.75 4.49 5.03 2kf2A12 SER 64 HB2 -0.06 -0.01 -0.15 -0.04 3.95 3.69 2kf2A12 SER 64 HB3 -0.04 0.00 0.12 -0.04 3.93 3.97 2kf2A12 TRP 65 H -0.49 0.45 0.14 -0.55 7.97 7.53 2kf2A12 TRP 65 HA -0.02 0.15 0.95 -0.75 4.62 4.95 2kf2A12 TRP 65 HB2 -0.02 0.03 0.04 -0.04 3.23 3.24 2kf2A12 TRP 65 HB3 -0.01 0.03 -0.01 -0.04 3.23 3.20 2kf2A12 TRP 65 HD1 0.07 -0.11 0.03 -0.04 7.22 7.17 2kf2A12 TRP 65 HE1 0.20 -0.03 -0.02 -0.04 10.20 10.31 2kf2A12 TRP 65 HE3 0.13 0.01 -0.07 -0.04 7.59 7.62 2kf2A12 TRP 65 HZ2 0.34 -0.03 -0.04 -0.04 7.44 7.66 2kf2A12 TRP 65 HZ3 0.86 -0.02 -0.02 -0.04 7.13 7.90 2kf2A12 TRP 65 HH2 0.18 -0.03 -0.02 -0.04 7.19 7.28 2kf2A12 VAL 66 H 0.13 0.14 0.22 -0.55 8.24 8.18 2kf2A12 VAL 66 HA 0.04 0.17 0.73 -0.75 4.13 4.31 2kf2A12 VAL 66 HB -0.00 -0.09 0.17 -0.04 2.12 2.16 2kf2A12 VAL 66 HG13 -0.06 0.01 -0.15 -0.04 0.97 0.72 2kf2A12 VAL 66 HG23 0.02 0.02 0.03 -0.04 0.95 0.97 2kf2A12 SER 67 H -0.24 0.91 0.49 -0.55 8.46 9.08 2kf2A12 SER 67 HA -0.23 0.06 1.12 -0.75 4.49 4.68 2kf2A12 SER 67 HB2 -0.56 -0.00 0.07 -0.04 3.95 3.41 2kf2A12 SER 67 HB3 -0.27 0.04 -0.15 -0.04 3.93 3.51 2kf2A12 GLU 68 H -0.25 0.59 0.36 -0.55 8.60 8.75 2kf2A12 GLU 68 HA -0.29 0.26 1.12 -0.75 4.29 4.63 2kf2A12 GLU 68 HB2 -0.12 -0.01 0.18 -0.04 2.09 2.10 2kf2A12 GLU 68 HB3 -0.10 -0.01 -0.04 -0.04 1.99 1.80 2kf2A12 GLU 68 HG2 -0.11 0.01 -0.07 -0.04 2.34 2.12 2kf2A12 GLU 68 HG3 -0.13 -0.06 -0.11 -0.04 2.34 2.00 2kf2A12 ARG 69 H -0.10 0.78 0.39 -0.55 8.46 8.98 2kf2A12 ARG 69 HA -0.13 0.36 1.32 -0.75 4.34 5.14 2kf2A12 ARG 69 HB2 0.25 -0.03 -0.09 -0.04 1.90 1.99 2kf2A12 ARG 69 HB3 0.26 -0.03 0.15 -0.04 1.80 2.14 2kf2A12 ARG 69 HG2 -0.10 -0.02 -0.43 -0.04 1.67 1.08 2kf2A12 ARG 69 HG3 -0.33 -0.02 -0.34 -0.04 1.67 0.93 2kf2A12 ARG 69 HD2 -0.21 0.00 -0.19 -0.04 3.22 2.78 2kf2A12 ARG 69 HD3 0.23 -0.00 -0.11 -0.04 3.22 3.29 2kf2A12 VAL 70 H -0.09 0.76 0.38 -0.55 8.24 8.74 2kf2A12 VAL 70 HA 0.01 0.41 1.18 -0.75 4.13 4.98 2kf2A12 VAL 70 HB -0.02 -0.06 0.28 -0.04 2.12 2.27 2kf2A12 VAL 70 HG13 0.03 0.00 -0.08 -0.04 0.97 0.88 2kf2A12 VAL 70 HG23 -0.02 -0.01 -0.04 -0.04 0.95 0.84 2kf2A12 ALA 71 H 0.08 0.44 0.20 -0.55 8.40 8.58 2kf2A12 ALA 71 HA 0.14 0.12 0.96 -0.75 4.34 4.80 2kf2A12 ALA 71 HB3 0.23 0.01 0.03 -0.04 1.41 1.64 2kf2A12 ASP 72 H 0.24 0.55 0.15 -0.55 8.40 8.78 2kf2A12 ASP 72 HA 0.15 0.24 0.97 -0.75 4.63 5.23 2kf2A12 ASP 72 HB2 0.10 0.06 0.05 -0.04 2.71 2.88 2kf2A12 ASP 72 HB3 0.15 0.07 0.26 -0.04 2.70 3.14 2kf2A12 PRO 73 HA -0.51 0.11 0.34 -0.51 4.44 3.87 2kf2A12 PRO 73 HB2 -0.21 0.04 -0.03 -0.04 2.28 2.03 2kf2A12 PRO 73 HB3 -0.60 0.05 0.06 -0.04 2.02 1.49 2kf2A12 PRO 73 HG2 -0.07 0.05 0.08 -0.04 2.03 2.05 2kf2A12 PRO 73 HG3 -0.02 0.09 0.01 -0.04 2.03 2.07 2kf2A12 PRO 73 HD2 0.03 0.02 0.24 -0.04 3.68 3.93 2kf2A12 PRO 73 HD3 0.14 0.52 0.37 -0.04 3.65 4.64 2kf2A12 VAL 74 H 0.02 0.08 -0.23 -0.55 8.24 7.56 2kf2A12 VAL 74 HA -0.03 0.15 0.45 -0.75 4.13 3.95 2kf2A12 VAL 74 HB 0.03 -0.08 0.10 -0.04 2.12 2.13 2kf2A12 VAL 74 HG13 0.01 0.02 -0.08 -0.04 0.97 0.88 2kf2A12 VAL 74 HG23 -0.01 0.01 0.04 -0.04 0.95 0.95 2kf2A12 THR 75 H 0.08 0.04 -0.07 -0.55 8.28 7.79 2kf2A12 THR 75 HA 0.08 0.15 0.53 -0.75 4.39 4.40 2kf2A12 THR 75 HB 0.10 0.04 0.08 -0.04 4.32 4.50 2kf2A12 THR 75 HG23 0.05 -0.01 0.01 -0.04 1.22 1.24 2kf2A12 ARG 76 H 0.18 0.00 -0.64 -0.55 8.46 7.45 2kf2A12 ARG 76 HA 0.58 -0.00 0.25 -0.75 4.34 4.41 2kf2A12 ARG 76 HB2 0.24 0.22 0.00 -0.04 1.90 2.32 2kf2A12 ARG 76 HB3 0.47 -0.08 0.27 -0.04 1.80 2.42 2kf2A12 ARG 76 HG2 0.02 -0.05 0.02 -0.04 1.67 1.63 2kf2A12 ARG 76 HG3 0.06 0.15 -0.24 -0.04 1.67 1.60 2kf2A12 ARG 76 HD2 0.10 0.01 -0.03 -0.04 3.22 3.27 2kf2A12 ARG 76 HD3 0.17 -0.05 -0.02 -0.04 3.22 3.28 2kf2A12 THR 77 H 0.34 0.22 -0.11 -0.55 8.28 8.17 2kf2A12 THR 77 HA 0.24 0.34 1.12 -0.75 4.39 5.34 2kf2A12 THR 77 HB 0.12 -0.11 0.04 -0.04 4.32 4.33 2kf2A12 THR 77 HG23 0.06 -0.01 -0.22 -0.04 1.22 1.01 2kf2A12 VAL 78 H 0.14 0.84 0.34 -0.55 8.24 9.01 2kf2A12 VAL 78 HA 0.01 0.27 1.17 -0.75 4.13 4.82 2kf2A12 VAL 78 HB 0.15 -0.02 0.17 -0.04 2.12 2.37 2kf2A12 VAL 78 HG13 -0.21 -0.00 -0.26 -0.04 0.97 0.45 2kf2A12 VAL 78 HG23 -0.21 -0.01 -0.17 -0.04 0.95 0.52 2kf2A12 ARG 79 H -0.11 0.70 0.34 -0.55 8.46 8.84 2kf2A12 ARG 79 HA -0.33 0.23 1.02 -0.75 4.34 4.51 2kf2A12 ARG 79 HB2 -0.09 -0.04 0.23 -0.04 1.90 1.96 2kf2A12 ARG 79 HB3 -0.12 -0.00 -0.05 -0.04 1.80 1.58 2kf2A12 ARG 79 HG2 -0.07 0.01 -0.14 -0.04 1.67 1.42 2kf2A12 ARG 79 HG3 -0.04 0.02 -0.16 -0.04 1.67 1.46 2kf2A12 ARG 79 HD2 -0.01 -0.01 -0.02 -0.04 3.22 3.14 2kf2A12 ARG 79 HD3 -0.01 -0.00 -0.07 -0.04 3.22 3.10 2kf2A12 ALA 80 H -0.60 0.87 0.32 -0.55 8.40 8.44 2kf2A12 ALA 80 HA -0.26 0.21 1.07 -0.75 4.34 4.60 2kf2A12 ALA 80 HB3 -0.48 -0.00 0.03 -0.04 1.41 0.92 2kf2A12 GLN 81 H -0.21 0.81 0.34 -0.55 8.47 8.86 2kf2A12 GLN 81 HA -0.32 0.20 1.22 -0.75 4.36 4.70 2kf2A12 GLN 81 HB2 -0.20 0.05 0.01 -0.04 2.15 1.96 2kf2A12 GLN 81 HB3 -0.14 -0.06 0.03 -0.04 2.02 1.81 2kf2A12 GLN 81 HG2 -0.11 0.19 0.20 -0.04 2.40 2.64 2kf2A12 GLN 81 HG3 -0.13 -0.16 0.15 -0.04 2.39 2.21 2kf2A12 GLN 81 HE21 -0.05 -0.06 0.00 -0.04 6.97 6.82 2kf2A12 GLN 81 HE22 0.01 0.00 -0.03 -0.04 7.69 7.63 2kf2A12 ARG 82 H -0.36 0.63 0.32 -0.55 8.46 8.50 2kf2A12 ARG 82 HA -0.26 0.05 0.91 -0.75 4.34 4.28 2kf2A12 ARG 82 HB2 -0.48 -0.02 0.00 -0.04 1.90 1.35 2kf2A12 ARG 82 HB3 -0.49 -0.01 0.12 -0.04 1.80 1.38 2kf2A12 ARG 82 HG2 -0.45 0.07 -0.43 -0.04 1.67 0.82 2kf2A12 ARG 82 HG3 -0.41 -0.05 -0.12 -0.04 1.67 1.04 2kf2A12 ARG 82 HD2 -1.49 0.10 -0.00 -0.04 3.22 1.79 2kf2A12 ARG 82 HD3 -1.78 -0.06 -0.06 -0.04 3.22 1.28 2kf2A12 VAL 83 H -0.15 0.46 0.38 -0.55 8.24 8.38 2kf2A12 VAL 83 HA -0.07 0.07 0.43 -0.75 4.13 3.81 2kf2A12 VAL 83 HB -0.05 0.02 0.13 -0.04 2.12 2.17 2kf2A12 VAL 83 HG13 -0.02 -0.01 -0.03 -0.04 0.97 0.86 2kf2A12 VAL 83 HG23 -0.08 -0.00 -0.00 -0.04 0.95 0.82 2kf2A12 GLU 84 H -0.05 0.25 0.07 -0.55 8.60 8.33 2kf2A12 GLU 84 HA -0.02 0.08 0.71 -0.75 4.29 4.30 2kf2A12 GLU 84 HB2 0.15 -0.06 0.22 -0.04 2.09 2.36 2kf2A12 GLU 84 HB3 0.04 0.05 0.03 -0.04 1.99 2.07 2kf2A12 GLU 84 HG2 0.01 0.07 0.04 -0.04 2.34 2.42 2kf2A12 GLU 84 HG3 0.04 -0.06 0.18 -0.04 2.34 2.46 2kf2A12 THR 85 H -0.03 0.21 0.12 -0.55 8.28 8.04 2kf2A12 THR 85 HA -0.15 0.09 0.32 -0.75 4.39 3.89 2kf2A12 THR 85 HB 0.14 -0.07 -0.21 -0.04 4.32 4.14 2kf2A12 THR 85 HG23 -0.06 0.04 -0.30 -0.04 1.22 0.86 2kf2A12 GLY 86 H 0.03 0.17 0.06 -0.55 8.43 8.15 2kf2A12 GLY 86 HA2 0.01 -0.01 0.32 -0.51 4.01 3.83 2kf2A12 GLY 86 HA3 0.07 0.20 0.90 -0.51 4.01 4.67 2kf2A12 PRO 87 HA -0.00 0.10 0.50 -0.51 4.44 4.53 2kf2A12 PRO 87 HB2 -0.26 -0.01 -0.10 -0.04 2.28 1.87 2kf2A12 PRO 87 HB3 -0.05 0.03 0.04 -0.04 2.02 2.00 2kf2A12 PRO 87 HG2 0.06 0.02 0.03 -0.04 2.03 2.10 2kf2A12 PRO 87 HG3 0.08 0.02 0.04 -0.04 2.03 2.12 2kf2A12 PRO 87 HD2 0.33 0.14 0.09 -0.04 3.68 4.20 2kf2A12 PRO 87 HD3 0.15 0.10 0.25 -0.04 3.65 4.11 2kf2A12 PHE 88 H 0.30 0.10 -0.35 -0.55 8.34 7.83 2kf2A12 PHE 88 HA 0.04 0.02 0.39 -0.75 4.62 4.32 2kf2A12 PHE 88 HB2 -0.06 -0.04 -0.16 -0.04 3.15 2.85 2kf2A12 PHE 88 HB3 -0.01 0.06 -0.19 -0.04 3.06 2.88 2kf2A12 PHE 88 HD2 0.01 0.08 -0.08 -0.04 7.28 7.25 2kf2A12 PHE 88 HE2 -0.33 -0.01 -0.06 -0.04 7.38 6.94 2kf2A12 PHE 88 HZ -0.24 -0.04 -0.06 -0.04 7.32 6.94 2kf2A12 GLN 89 H 0.17 0.60 0.49 -0.55 8.47 9.18 2kf2A12 GLN 89 HA 0.09 0.15 0.85 -0.75 4.36 4.69 2kf2A12 GLN 89 HB2 0.11 0.03 0.02 -0.04 2.15 2.28 2kf2A12 GLN 89 HB3 0.07 -0.04 0.04 -0.04 2.02 2.06 2kf2A12 GLN 89 HG2 0.04 0.02 0.02 -0.04 2.40 2.44 2kf2A12 GLN 89 HG3 0.05 -0.03 0.05 -0.04 2.39 2.42 2kf2A12 GLN 89 HE21 0.02 0.00 0.02 -0.04 6.97 6.97 2kf2A12 GLN 89 HE22 0.02 0.03 -0.02 -0.04 7.69 7.67 2kf2A12 TYR 90 H 0.23 0.51 0.35 -0.55 8.29 8.84 2kf2A12 TYR 90 HA 0.00 0.21 0.69 -0.75 4.56 4.70 2kf2A12 TYR 90 HB2 0.01 0.10 -0.10 -0.04 3.06 3.03 2kf2A12 TYR 90 HB3 0.02 -0.13 0.10 -0.04 2.98 2.93 2kf2A12 TYR 90 HD2 -0.02 0.02 -0.03 -0.04 7.15 7.07 2kf2A12 TYR 90 HE2 -0.04 0.00 -0.06 -0.04 6.85 6.71 2kf2A12 MET 91 H -0.63 0.27 0.07 -0.55 8.47 7.64 2kf2A12 MET 91 HA -0.27 0.15 0.94 -0.75 4.52 4.59 2kf2A12 MET 91 HB2 -0.53 0.00 -0.17 -0.04 2.15 1.40 2kf2A12 MET 91 HB3 -0.46 0.12 0.15 -0.04 2.03 1.80 2kf2A12 MET 91 HG2 -0.77 0.03 -0.05 -0.04 2.63 1.80 2kf2A12 MET 91 HG3 -0.47 -0.05 -0.18 -0.04 2.56 1.82 2kf2A12 MET 91 HE3 -0.35 -0.00 -0.11 -0.04 2.10 1.59 2kf2A12 ASN 92 H -0.35 0.72 0.18 -0.55 8.53 8.55 2kf2A12 ASN 92 HA -0.37 0.18 1.05 -0.75 4.76 4.87 2kf2A12 ASN 92 HB2 -0.49 -0.02 -0.08 -0.04 2.88 2.25 2kf2A12 ASN 92 HB3 -0.11 0.02 0.17 -0.04 2.79 2.84 2kf2A12 ASN 92 HD21 -0.03 -0.02 -0.14 -0.04 7.03 6.81 2kf2A12 ASN 92 HD22 0.07 -0.01 -0.07 -0.04 7.74 7.69 2kf2A12 ILE 93 H -0.34 0.83 0.26 -0.55 8.25 8.45 2kf2A12 ILE 93 HA -0.22 0.13 0.89 -0.75 4.18 4.22 2kf2A12 ILE 93 HB -0.54 0.01 0.21 -0.04 1.89 1.52 2kf2A12 ILE 93 HG12 -0.25 -0.04 -0.11 -0.04 1.49 1.05 2kf2A12 ILE 93 HG13 -0.32 0.02 -0.04 -0.04 1.21 0.83 2kf2A12 ILE 93 HG23 -0.79 -0.00 -0.20 -0.04 0.93 -0.10 2kf2A12 ILE 93 HD13 -0.26 -0.00 -0.05 -0.04 0.88 0.52 2kf2A12 VAL 94 H -0.13 0.89 0.34 -0.55 8.24 8.78 2kf2A12 VAL 94 HA -0.24 0.13 0.87 -0.75 4.13 4.14 2kf2A12 VAL 94 HB -0.01 -0.02 0.21 -0.04 2.12 2.26 2kf2A12 VAL 94 HG13 -0.00 -0.01 -0.22 -0.04 0.97 0.69 2kf2A12 VAL 94 HG23 -0.04 0.01 -0.09 -0.04 0.95 0.79 2kf2A12 TRP 95 H -0.21 0.93 0.39 -0.55 7.97 8.53 2kf2A12 TRP 95 HA -0.25 0.37 0.99 -0.75 4.62 4.97 2kf2A12 TRP 95 HB2 -0.15 -0.07 0.27 -0.04 3.23 3.24 2kf2A12 TRP 95 HB3 -0.40 -0.01 -0.01 -0.04 3.23 2.76 2kf2A12 TRP 95 HD1 -0.86 0.00 -0.44 -0.04 7.22 5.89 2kf2A12 TRP 95 HE1 -1.70 -0.05 -0.13 -0.04 10.20 8.28 2kf2A12 TRP 95 HE3 0.02 -0.05 -0.09 -0.04 7.59 7.44 2kf2A12 TRP 95 HZ2 -0.09 -0.03 -0.08 -0.04 7.44 7.20 2kf2A12 TRP 95 HZ3 0.24 0.10 -0.18 -0.04 7.13 7.24 2kf2A12 TRP 95 HH2 0.10 0.04 -0.08 -0.04 7.19 7.21 2kf2A12 GLU 96 H -0.00 0.51 0.32 -0.55 8.60 8.88 2kf2A12 GLU 96 HA 0.11 0.25 1.10 -0.75 4.29 4.99 2kf2A12 GLU 96 HB2 0.04 -0.10 0.18 -0.04 2.09 2.17 2kf2A12 GLU 96 HB3 0.08 0.08 -0.00 -0.04 1.99 2.10 2kf2A12 GLU 96 HG2 0.07 0.04 -0.14 -0.04 2.34 2.26 2kf2A12 GLU 96 HG3 0.05 0.01 -0.24 -0.04 2.34 2.12 2kf2A12 TYR 97 H 0.33 0.62 0.32 -0.55 8.29 9.02 2kf2A12 TYR 97 HA 0.12 0.22 0.88 -0.75 4.56 5.03 2kf2A12 TYR 97 HB2 0.35 0.08 0.18 -0.04 3.06 3.63 2kf2A12 TYR 97 HB3 0.22 -0.06 -0.04 -0.04 2.98 3.06 2kf2A12 TYR 97 HD2 0.10 0.13 -0.10 -0.04 7.15 7.24 2kf2A12 TYR 97 HE2 -0.16 0.00 -0.14 -0.04 6.85 6.52 2kf2A12 ALA 98 H 0.16 0.62 0.34 -0.55 8.40 8.97 2kf2A12 ALA 98 HA 0.13 0.19 0.97 -0.75 4.34 4.87 2kf2A12 ALA 98 HB3 0.08 -0.00 0.00 -0.04 1.41 1.45 2kf2A12 GLU 99 H 0.08 0.18 0.17 -0.55 8.60 8.48 2kf2A12 GLU 99 HA 0.08 0.08 0.72 -0.75 4.29 4.41 2kf2A12 GLU 99 HB2 0.05 0.00 0.18 -0.04 2.09 2.28 2kf2A12 GLU 99 HB3 0.04 0.02 0.03 -0.04 1.99 2.04 2kf2A12 GLU 99 HG2 0.06 -0.01 -0.00 -0.04 2.34 2.35 2kf2A12 GLU 99 HG3 0.08 0.02 0.04 -0.04 2.34 2.43 2kf2A12 THR 100 H 0.05 0.36 0.28 -0.55 8.28 8.43 2kf2A12 THR 100 HA 0.03 0.14 0.70 -0.75 4.39 4.51 2kf2A12 THR 100 HB 0.03 0.18 0.05 -0.04 4.32 4.54 2kf2A12 THR 100 HG23 0.02 -0.06 0.08 -0.04 1.22 1.22 2kf2A12 ALA 101 H 0.02 0.18 0.16 -0.55 8.40 8.21 2kf2A12 ALA 101 HA 0.02 0.12 0.34 -0.75 4.34 4.06 2kf2A12 ALA 101 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 2kf2A12 GLU 102 H 0.02 0.01 -0.19 -0.55 8.60 7.89 2kf2A12 GLU 102 HA 0.01 0.14 0.50 -0.75 4.29 4.18 2kf2A12 GLU 102 HB2 0.01 -0.03 -0.06 -0.04 2.09 1.98 2kf2A12 GLU 102 HB3 0.00 0.04 -0.02 -0.04 1.99 1.98 2kf2A12 GLU 102 HG2 0.01 -0.09 -0.01 -0.04 2.34 2.20 2kf2A12 GLU 102 HG3 0.00 0.02 -0.02 -0.04 2.34 2.30 2kf2A12 GLY 103 H 0.02 0.20 -0.56 -0.55 8.43 7.55 2kf2A12 GLY 103 HA2 0.03 0.02 0.26 -0.51 4.01 3.80 2kf2A12 GLY 103 HA3 0.02 0.24 0.58 -0.51 4.01 4.35 2kf2A12 THR 104 H 0.05 0.55 0.33 -0.55 8.28 8.66 2kf2A12 THR 104 HA 0.10 0.16 0.75 -0.75 4.39 4.64 2kf2A12 THR 104 HB 0.13 -0.00 0.23 -0.04 4.32 4.63 2kf2A12 THR 104 HG23 0.29 -0.00 -0.11 -0.04 1.22 1.35 2kf2A12 VAL 105 H 0.08 0.50 0.33 -0.55 8.24 8.60 2kf2A12 VAL 105 HA 0.02 0.08 0.66 -0.75 4.13 4.14 2kf2A12 VAL 105 HB 0.05 -0.03 0.12 -0.04 2.12 2.22 2kf2A12 VAL 105 HG13 0.02 -0.01 -0.29 -0.04 0.97 0.65 2kf2A12 VAL 105 HG23 0.03 0.02 -0.11 -0.04 0.95 0.85 2kf2A12 MET 106 H -0.01 0.69 0.32 -0.55 8.47 8.92 2kf2A12 MET 106 HA -0.17 0.38 1.05 -0.75 4.52 5.03 2kf2A12 MET 106 HB2 -0.15 -0.03 -0.06 -0.04 2.15 1.87 2kf2A12 MET 106 HB3 -0.12 0.05 0.17 -0.04 2.03 2.10 2kf2A12 MET 106 HG2 -0.11 -0.01 -0.41 -0.04 2.63 2.06 2kf2A12 MET 106 HG3 -0.87 -0.02 -0.19 -0.04 2.56 1.44 2kf2A12 MET 106 HE3 -0.23 0.00 -0.05 -0.04 2.10 1.78 2kf2A12 ARG 107 H -0.05 0.78 0.33 -0.55 8.46 8.96 2kf2A12 ARG 107 HA 0.07 0.09 0.73 -0.75 4.34 4.47 2kf2A12 ARG 107 HB2 0.05 -0.06 0.21 -0.04 1.90 2.06 2kf2A12 ARG 107 HB3 0.07 -0.04 -0.08 -0.04 1.80 1.72 2kf2A12 ARG 107 HG2 0.04 -0.04 -0.14 -0.04 1.67 1.48 2kf2A12 ARG 107 HG3 0.03 0.18 -0.03 -0.04 1.67 1.80 2kf2A12 ARG 107 HD2 0.05 -0.00 -0.03 -0.04 3.22 3.19 2kf2A12 ARG 107 HD3 0.04 -0.03 -0.08 -0.04 3.22 3.12 2kf2A12 TRP 108 H 0.25 0.79 0.19 -0.55 7.97 8.66 2kf2A12 TRP 108 HA 0.14 0.21 0.88 -0.75 4.62 5.09 2kf2A12 TRP 108 HB2 -0.05 0.23 0.26 -0.04 3.23 3.63 2kf2A12 TRP 108 HB3 0.04 -0.09 0.18 -0.04 3.23 3.32 2kf2A12 TRP 108 HD1 -0.38 -0.00 -0.24 -0.04 7.22 6.56 2kf2A12 TRP 108 HE1 -1.24 0.02 -0.09 -0.04 10.20 8.85 2kf2A12 TRP 108 HE3 0.06 -0.04 -0.04 -0.04 7.59 7.53 2kf2A12 TRP 108 HZ2 -0.03 0.03 -0.07 -0.04 7.44 7.33 2kf2A12 TRP 108 HZ3 0.09 -0.03 -0.05 -0.04 7.13 7.10 2kf2A12 TRP 108 HH2 0.21 -0.01 -0.05 -0.04 7.19 7.29 2kf2A12 THR 109 H 0.09 0.84 0.09 -0.55 8.28 8.75 2kf2A12 THR 109 HA 0.14 0.16 0.89 -0.75 4.39 4.83 2kf2A12 THR 109 HB 0.05 0.00 0.20 -0.04 4.32 4.53 2kf2A12 THR 109 HG23 0.10 -0.01 -0.22 -0.04 1.22 1.05 2kf2A12 GLN 110 H 0.18 0.87 0.31 -0.55 8.47 9.28 2kf2A12 GLN 110 HA 0.02 0.17 0.91 -0.75 4.36 4.71 2kf2A12 GLN 110 HB2 0.34 -0.07 0.20 -0.04 2.15 2.58 2kf2A12 GLN 110 HB3 0.24 -0.01 -0.06 -0.04 2.02 2.15 2kf2A12 GLN 110 HG2 -0.01 -0.01 -0.12 -0.04 2.40 2.22 2kf2A12 GLN 110 HG3 0.23 0.11 -0.07 -0.04 2.39 2.61 2kf2A12 GLN 110 HE21 0.20 0.02 -0.08 -0.04 6.97 7.07 2kf2A12 GLN 110 HE22 0.19 -0.02 -0.05 -0.04 7.69 7.77 2kf2A12 ASP 111 H 0.01 0.86 0.34 -0.55 8.40 9.05 2kf2A12 ASP 111 HA -0.21 0.22 0.94 -0.75 4.63 4.83 2kf2A12 ASP 111 HB2 0.12 -0.01 0.03 -0.04 2.71 2.81 2kf2A12 ASP 111 HB3 0.05 0.02 0.26 -0.04 2.70 2.98 2kf2A12 PHE 112 H -0.61 0.64 0.12 -0.55 8.34 7.94 2kf2A12 PHE 112 HA -0.03 0.32 1.14 -0.75 4.62 5.29 2kf2A12 PHE 112 HB2 0.38 0.05 0.00 -0.04 3.15 3.54 2kf2A12 PHE 112 HB3 -0.03 -0.06 -0.10 -0.04 3.06 2.83 2kf2A12 PHE 112 HD2 0.06 -0.02 -0.23 -0.04 7.28 7.05 2kf2A12 PHE 112 HE2 0.05 -0.04 -0.06 -0.04 7.38 7.28 2kf2A12 PHE 112 HZ 0.07 -0.07 -0.14 -0.04 7.32 7.14 2kf2A12 ALA 113 H 0.21 0.36 0.28 -0.55 8.40 8.70 2kf2A12 ALA 113 HA 0.01 0.17 1.15 -0.75 4.34 4.92 2kf2A12 ALA 113 HB3 0.10 0.01 0.10 -0.04 1.41 1.58 2kf2A12 MET 114 H 0.05 0.57 0.37 -0.55 8.47 8.91 2kf2A12 MET 114 HA 0.04 0.05 0.62 -0.75 4.52 4.47 2kf2A12 MET 114 HB2 0.04 -0.00 -0.15 -0.04 2.15 2.00 2kf2A12 MET 114 HB3 0.06 -0.05 -0.16 -0.04 2.03 1.83 2kf2A12 MET 114 HG2 -0.13 0.01 -0.23 -0.04 2.63 2.25 2kf2A12 MET 114 HG3 -0.14 0.37 -0.03 -0.04 2.56 2.71 2kf2A12 MET 114 HE3 -0.38 -0.02 -0.14 -0.04 2.10 1.52 2kf2A12 LYS 115 H -0.02 0.24 0.19 -0.55 8.42 8.28 2kf2A12 LYS 115 HA 0.00 0.11 0.62 -0.75 4.32 4.30 2kf2A12 LYS 115 HB2 0.01 0.11 -0.19 -0.04 1.87 1.75 2kf2A12 LYS 115 HB3 0.00 0.00 0.07 -0.04 1.79 1.82 2kf2A12 LYS 115 HG2 -0.00 -0.05 -0.06 -0.04 1.46 1.30 2kf2A12 LYS 115 HG3 0.00 0.01 0.13 -0.04 1.46 1.57 2kf2A12 LYS 115 HD2 0.01 0.06 0.02 -0.04 1.69 1.74 2kf2A12 LYS 115 HD3 0.00 -0.02 -0.00 -0.04 1.68 1.62 2kf2A12 LYS 115 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 2kf2A12 LYS 115 HE3 -0.00 -0.03 0.00 -0.04 2.99 2.92 2kf2A12 PRO 116 HA -0.01 0.04 0.55 -0.51 4.44 4.52 2kf2A12 PRO 116 HB2 -0.01 0.10 0.09 -0.04 2.28 2.41 2kf2A12 PRO 116 HB3 -0.00 0.02 0.13 -0.04 2.02 2.13 2kf2A12 PRO 116 HG2 0.00 0.09 0.11 -0.04 2.03 2.20 2kf2A12 PRO 116 HG3 -0.00 0.04 0.10 -0.04 2.03 2.13 2kf2A12 PRO 116 HD2 -0.01 0.09 0.30 -0.04 3.68 4.02 2kf2A12 PRO 116 HD3 0.00 0.16 0.21 -0.04 3.65 3.98 2kf2A12 ASP 117 H -0.01 0.16 0.14 -0.55 8.40 8.14 2kf2A12 ASP 117 HA -0.00 0.00 0.34 -0.75 4.63 4.22 2kf2A12 ASP 117 HB2 -0.00 -0.03 -0.14 -0.04 2.71 2.49 2kf2A12 ASP 117 HB3 -0.03 0.26 0.11 -0.04 2.70 3.00 2kf2A12 ALA 118 H -0.04 0.27 -1.28 -0.55 8.40 6.81 2kf2A12 ALA 118 HA -0.02 0.18 0.80 -0.75 4.34 4.55 2kf2A12 ALA 118 HB3 -0.07 -0.01 -0.08 -0.04 1.41 1.20 2kf2A12 PRO 119 HA -0.03 0.17 0.46 -0.51 4.44 4.53 2kf2A12 PRO 119 HB2 -0.09 -0.02 0.17 -0.04 2.28 2.30 2kf2A12 PRO 119 HB3 -0.04 0.03 0.08 -0.04 2.02 2.04 2kf2A12 PRO 119 HG2 -0.01 -0.00 0.04 -0.04 2.03 2.02 2kf2A12 PRO 119 HG3 -0.01 0.07 0.01 -0.04 2.03 2.05 2kf2A12 PRO 119 HD2 0.04 0.02 0.08 -0.04 3.68 3.77 2kf2A12 PRO 119 HD3 0.01 0.47 0.34 -0.04 3.65 4.42 2kf2A12 VAL 120 H 0.03 0.25 -0.85 -0.55 8.24 7.12 2kf2A12 VAL 120 HA 0.00 0.15 0.49 -0.75 4.13 4.02 2kf2A12 VAL 120 HB 0.29 -0.29 0.06 -0.04 2.12 2.15 2kf2A12 VAL 120 HG13 0.30 0.03 -0.12 -0.04 0.97 1.13 2kf2A12 VAL 120 HG23 0.12 0.02 -0.14 -0.04 0.95 0.91 2kf2A12 ASP 121 H 0.19 -0.01 0.07 -0.55 8.40 8.11 2kf2A12 ASP 121 HA 0.05 0.35 0.84 -0.75 4.63 5.12 2kf2A12 ASP 121 HB2 0.00 0.14 -0.04 -0.04 2.71 2.78 2kf2A12 ASP 121 HB3 0.10 -0.12 0.13 -0.04 2.70 2.77 2kf2A12 ASP 122 H 0.15 0.22 -0.21 -0.55 8.40 8.01 2kf2A12 ASP 122 HA 0.18 0.08 0.40 -0.75 4.63 4.54 2kf2A12 ASP 122 HB2 0.05 0.10 -0.00 -0.04 2.71 2.82 2kf2A12 ASP 122 HB3 0.08 0.26 0.26 -0.04 2.70 3.26 2kf2A12 ALA 123 H 0.13 0.83 0.21 -0.55 8.40 9.02 2kf2A12 ALA 123 HA 0.12 0.07 0.33 -0.75 4.34 4.11 2kf2A12 ALA 123 HB3 0.11 0.05 0.12 -0.04 1.41 1.66 2kf2A12 TRP 124 H 0.32 0.01 -0.60 -0.55 7.97 7.16 2kf2A12 TRP 124 HA 0.04 0.17 0.50 -0.75 4.62 4.57 2kf2A12 TRP 124 HB2 0.03 0.07 0.07 -0.04 3.23 3.36 2kf2A12 TRP 124 HB3 0.04 -0.18 0.04 -0.04 3.23 3.10 2kf2A12 TRP 124 HD1 0.02 -0.04 -0.14 -0.04 7.22 7.02 2kf2A12 TRP 124 HE1 0.01 0.04 -0.05 -0.04 10.20 10.16 2kf2A12 TRP 124 HE3 0.02 -0.03 0.02 -0.04 7.59 7.56 2kf2A12 TRP 124 HZ2 0.01 0.03 -0.01 -0.04 7.44 7.43 2kf2A12 TRP 124 HZ3 0.01 0.02 0.01 -0.04 7.13 7.13 2kf2A12 TRP 124 HH2 0.01 0.03 0.00 -0.04 7.19 7.19 2kf2A12 MET 125 H 0.24 0.17 -0.22 -0.55 8.47 8.12 2kf2A12 MET 125 HA -0.08 0.11 0.56 -0.75 4.52 4.36 2kf2A12 MET 125 HB2 0.29 0.11 0.11 -0.04 2.15 2.62 2kf2A12 MET 125 HB3 0.05 0.03 -0.01 -0.04 2.03 2.06 2kf2A12 MET 125 HG2 0.08 0.05 -0.03 -0.04 2.63 2.68 2kf2A12 MET 125 HG3 0.23 -0.15 -0.02 -0.04 2.56 2.58 2kf2A12 MET 125 HE3 -0.28 0.01 -0.06 -0.04 2.10 1.74 2kf2A12 THR 126 H 0.15 0.55 -0.00 -0.55 8.28 8.43 2kf2A12 THR 126 HA 0.14 0.02 0.33 -0.75 4.39 4.12 2kf2A12 THR 126 HB 0.09 0.04 0.15 -0.04 4.32 4.56 2kf2A12 THR 126 HG23 0.08 -0.00 0.03 -0.04 1.22 1.29 2kf2A12 ASP 127 H -0.01 0.53 -0.26 -0.55 8.40 8.12 2kf2A12 ASP 127 HA -0.03 0.07 0.45 -0.75 4.63 4.36 2kf2A12 ASP 127 HB2 -0.03 0.03 0.13 -0.04 2.71 2.80 2kf2A12 ASP 127 HB3 -0.19 0.06 0.16 -0.04 2.70 2.69 2kf2A12 ASN 128 H -0.25 0.38 -0.12 -0.55 8.53 8.00 2kf2A12 ASN 128 HA -0.20 0.04 0.40 -0.75 4.76 4.25 2kf2A12 ASN 128 HB2 -0.48 0.06 0.17 -0.04 2.88 2.59 2kf2A12 ASN 128 HB3 -0.23 -0.00 0.23 -0.04 2.79 2.75 2kf2A12 ASN 128 HD21 -0.12 -0.01 -0.01 -0.04 7.03 6.84 2kf2A12 ASN 128 HD22 -0.07 0.00 -0.04 -0.04 7.74 7.58 2kf2A12 ILE 129 H -0.06 0.88 -0.03 -0.55 8.25 8.49 2kf2A12 ILE 129 HA -0.02 -0.03 0.37 -0.75 4.18 3.75 2kf2A12 ILE 129 HB 0.06 0.11 0.03 -0.04 1.89 2.06 2kf2A12 ILE 129 HG12 -0.02 -0.03 0.01 -0.04 1.49 1.41 2kf2A12 ILE 129 HG13 -0.03 0.02 0.09 -0.04 1.21 1.25 2kf2A12 ILE 129 HG23 0.11 -0.01 -0.09 -0.04 0.93 0.90 2kf2A12 ILE 129 HD13 -0.11 -0.02 -0.09 -0.04 0.88 0.62 2kf2A12 ASN 130 H -0.01 0.45 -0.38 -0.55 8.53 8.05 2kf2A12 ASN 130 HA 0.02 -0.02 0.41 -0.75 4.76 4.41 2kf2A12 ASN 130 HB2 0.02 0.23 0.20 -0.04 2.88 3.29 2kf2A12 ASN 130 HB3 -0.02 0.10 0.17 -0.04 2.79 2.99 2kf2A12 ASN 130 HD21 0.04 0.03 0.03 -0.04 7.03 7.09 2kf2A12 ASN 130 HD22 0.02 -0.03 0.10 -0.04 7.74 7.78 2kf2A12 ARG 131 H -0.06 0.46 -0.20 -0.55 8.46 8.11 2kf2A12 ARG 131 HA -0.06 0.05 0.49 -0.75 4.34 4.07 2kf2A12 ARG 131 HB2 -0.08 0.10 0.18 -0.04 1.90 2.05 2kf2A12 ARG 131 HB3 -0.07 -0.05 0.07 -0.04 1.80 1.71 2kf2A12 ARG 131 HG2 -0.06 -0.05 0.04 -0.04 1.67 1.56 2kf2A12 ARG 131 HG3 -0.07 0.37 0.17 -0.04 1.67 2.10 2kf2A12 ARG 131 HD2 -0.10 -0.02 0.02 -0.04 3.22 3.07 2kf2A12 ARG 131 HD3 -0.07 -0.03 0.01 -0.04 3.22 3.09 2kf2A12 ASN 132 H -0.06 0.69 0.06 -0.55 8.53 8.67 2kf2A12 ASN 132 HA -0.06 0.02 0.40 -0.75 4.76 4.36 2kf2A12 ASN 132 HB2 -0.05 0.03 0.08 -0.04 2.88 2.90 2kf2A12 ASN 132 HB3 -0.03 -0.02 0.20 -0.04 2.79 2.90 2kf2A12 ASN 132 HD21 -0.03 0.01 0.01 -0.04 7.03 6.98 2kf2A12 ASN 132 HD22 -0.01 -0.01 -0.02 -0.04 7.74 7.66 2kf2A12 SER 133 H -0.05 0.83 0.02 -0.55 8.46 8.71 2kf2A12 SER 133 HA -0.29 -0.02 0.35 -0.75 4.49 3.79 2kf2A12 SER 133 HB2 -0.05 0.10 0.09 -0.04 3.95 4.05 2kf2A12 SER 133 HB3 -0.37 -0.04 0.05 -0.04 3.93 3.53 2kf2A12 ARG 134 H -0.12 0.40 -0.38 -0.55 8.46 7.80 2kf2A12 ARG 134 HA -0.21 0.02 0.38 -0.75 4.34 3.77 2kf2A12 ARG 134 HB2 -0.09 0.19 0.18 -0.04 1.90 2.14 2kf2A12 ARG 134 HB3 -0.09 0.04 0.17 -0.04 1.80 1.88 2kf2A12 ARG 134 HG2 -0.10 -0.03 -0.12 -0.04 1.67 1.37 2kf2A12 ARG 134 HG3 -0.10 -0.03 0.01 -0.04 1.67 1.51 2kf2A12 ARG 134 HD2 -0.06 -0.01 -0.01 -0.04 3.22 3.09 2kf2A12 ARG 134 HD3 -0.06 -0.03 -0.00 -0.04 3.22 3.09 2kf2A12 THR 135 H -0.12 0.66 -0.09 -0.55 8.28 8.17 2kf2A12 THR 135 HA -0.11 0.02 0.45 -0.75 4.39 4.00 2kf2A12 THR 135 HB -0.09 0.08 0.18 -0.04 4.32 4.44 2kf2A12 THR 135 HG23 -0.07 -0.02 -0.02 -0.04 1.22 1.07 2kf2A12 GLN 136 H -0.16 0.68 -0.07 -0.55 8.47 8.38 2kf2A12 GLN 136 HA -0.12 0.01 0.41 -0.75 4.36 3.91 2kf2A12 GLN 136 HB2 -0.08 0.03 0.11 -0.04 2.15 2.17 2kf2A12 GLN 136 HB3 -0.29 0.06 0.18 -0.04 2.02 1.92 2kf2A12 GLN 136 HG2 0.17 -0.03 -0.02 -0.04 2.40 2.48 2kf2A12 GLN 136 HG3 -0.13 0.02 -0.19 -0.04 2.39 2.04 2kf2A12 GLN 136 HE21 -0.13 0.02 0.16 -0.04 6.97 6.97 2kf2A12 GLN 136 HE22 0.07 -0.04 0.07 -0.04 7.69 7.74 2kf2A12 MET 137 H -0.40 0.80 -0.07 -0.55 8.47 8.26 2kf2A12 MET 137 HA -0.48 0.02 0.43 -0.75 4.52 3.74 2kf2A12 MET 137 HB2 -0.49 0.12 0.07 -0.04 2.15 1.80 2kf2A12 MET 137 HB3 -0.51 -0.06 0.07 -0.04 2.03 1.49 2kf2A12 MET 137 HG2 -1.18 0.17 0.11 -0.04 2.63 1.69 2kf2A12 MET 137 HG3 -1.64 -0.03 -0.01 -0.04 2.56 0.84 2kf2A12 MET 137 HE3 -0.50 -0.00 -0.04 -0.04 2.10 1.52 2kf2A12 ALA 138 H -0.23 0.36 -0.53 -0.55 8.40 7.46 2kf2A12 ALA 138 HA -0.15 0.02 0.61 -0.75 4.34 4.06 2kf2A12 ALA 138 HB3 -0.12 0.06 0.14 -0.04 1.41 1.45 2kf2A12 LEU 139 H -0.17 0.48 -0.09 -0.55 8.37 8.05 2kf2A12 LEU 139 HA -0.10 0.02 0.51 -0.75 4.35 4.03 2kf2A12 LEU 139 HB2 -0.10 -0.00 0.16 -0.04 1.64 1.65 2kf2A12 LEU 139 HB3 -0.16 0.17 0.21 -0.04 1.64 1.82 2kf2A12 LEU 139 HG -0.11 0.08 -0.14 -0.04 1.64 1.43 2kf2A12 LEU 139 HD13 -0.06 -0.02 0.04 -0.04 0.93 0.84 2kf2A12 LEU 139 HD23 -0.06 -0.01 -0.05 -0.04 0.89 0.74 2kf2A12 ILE 140 H -0.27 0.37 -0.11 -0.55 8.25 7.69 2kf2A12 ILE 140 HA -0.23 0.15 0.48 -0.75 4.18 3.82 2kf2A12 ILE 140 HB -0.40 0.01 0.13 -0.04 1.89 1.59 2kf2A12 ILE 140 HG12 -0.60 0.18 -0.07 -0.04 1.49 0.96 2kf2A12 ILE 140 HG13 -0.56 0.13 0.07 -0.04 1.21 0.81 2kf2A12 ILE 140 HG23 -0.31 -0.01 -0.15 -0.04 0.93 0.42 2kf2A12 ILE 140 HD13 -1.34 -0.04 -0.10 -0.04 0.88 -0.64 2kf2A12 ARG 141 H -0.20 0.68 -0.22 -0.55 8.46 8.17 2kf2A12 ARG 141 HA -0.11 -0.04 0.43 -0.75 4.34 3.86 2kf2A12 ARG 141 HB2 -0.14 0.06 0.14 -0.04 1.90 1.92 2kf2A12 ARG 141 HB3 -0.12 0.16 0.26 -0.04 1.80 2.06 2kf2A12 ARG 141 HG2 -0.06 -0.15 0.04 -0.04 1.67 1.46 2kf2A12 ARG 141 HG3 -0.08 0.04 0.01 -0.04 1.67 1.61 2kf2A12 ARG 141 HD2 -0.07 0.02 0.01 -0.04 3.22 3.13 2kf2A12 ARG 141 HD3 -0.07 0.06 -0.42 -0.04 3.22 2.75 2kf2A12 ASP 142 H -0.10 0.55 -0.31 -0.55 8.40 7.99 2kf2A12 ASP 142 HA -0.05 -0.02 0.46 -0.75 4.63 4.27 2kf2A12 ASP 142 HB2 -0.07 0.22 0.23 -0.04 2.71 3.04 2kf2A12 ASP 142 HB3 -0.05 -0.06 0.03 -0.04 2.70 2.58 2kf2A12 ARG 143 H -0.09 0.55 -0.08 -0.55 8.46 8.29 2kf2A12 ARG 143 HA -0.04 0.00 0.47 -0.75 4.34 4.01 2kf2A12 ARG 143 HB2 -0.09 0.07 0.21 -0.04 1.90 2.05 2kf2A12 ARG 143 HB3 -0.04 0.01 0.11 -0.04 1.80 1.84 2kf2A12 ARG 143 HG2 -0.09 0.31 0.13 -0.04 1.67 1.98 2kf2A12 ARG 143 HG3 -0.08 0.11 0.07 -0.04 1.67 1.72 2kf2A12 ARG 143 HD2 -0.04 0.00 -0.02 -0.04 3.22 3.12 2kf2A12 ARG 143 HD3 -0.03 0.01 0.06 -0.04 3.22 3.23 2kf2A12 ILE 144 H -0.07 0.72 -0.15 -0.55 8.25 8.20 2kf2A12 ILE 144 HA -0.01 0.04 0.45 -0.75 4.18 3.90 2kf2A12 ILE 144 HB -0.05 0.10 0.10 -0.04 1.89 2.00 2kf2A12 ILE 144 HG12 -0.02 -0.03 -0.05 -0.04 1.49 1.34 2kf2A12 ILE 144 HG13 -0.09 0.28 -0.00 -0.04 1.21 1.36 2kf2A12 ILE 144 HG23 0.00 -0.03 -0.21 -0.04 0.93 0.66 2kf2A12 ILE 144 HD13 -0.06 -0.03 -0.09 -0.04 0.88 0.66 2kf2A12 GLU 145 H -0.04 0.64 -0.10 -0.55 8.60 8.56 2kf2A12 GLU 145 HA -0.01 0.03 0.45 -0.75 4.29 4.01 2kf2A12 GLU 145 HB2 -0.03 0.02 0.14 -0.04 2.09 2.19 2kf2A12 GLU 145 HB3 -0.03 0.08 0.18 -0.04 1.99 2.18 2kf2A12 GLU 145 HG2 -0.01 -0.04 -0.12 -0.04 2.34 2.12 2kf2A12 GLU 145 HG3 -0.01 0.10 0.11 -0.04 2.34 2.50 2kf2A12 GLN 146 H -0.02 0.72 -0.14 -0.55 8.47 8.48 2kf2A12 GLN 146 HA -0.01 -0.02 0.45 -0.75 4.36 4.02 2kf2A12 GLN 146 HB2 -0.02 0.02 0.14 -0.04 2.15 2.25 2kf2A12 GLN 146 HB3 -0.02 0.21 0.21 -0.04 2.02 2.38 2kf2A12 GLN 146 HG2 -0.01 -0.02 -0.18 -0.04 2.40 2.15 2kf2A12 GLN 146 HG3 -0.01 -0.07 0.05 -0.04 2.39 2.33 2kf2A12 GLN 146 HE21 -0.00 -0.03 -0.03 -0.04 6.97 6.87 2kf2A12 GLN 146 HE22 -0.00 -0.00 0.00 -0.04 7.69 7.64 2kf2A12 ALA 147 H -0.01 0.48 -0.26 -0.55 8.40 8.06 2kf2A12 ALA 147 HA 0.00 0.00 0.52 -0.75 4.34 4.11 2kf2A12 ALA 147 HB3 0.01 0.02 0.13 -0.04 1.41 1.53 2kf2A12 ALA 148 H 0.00 0.66 -0.03 -0.55 8.40 8.48 2kf2A12 ALA 148 HA 0.01 0.15 0.48 -0.75 4.34 4.23 2kf2A12 ALA 148 HB3 0.01 -0.04 0.15 -0.04 1.41 1.49 2kf2A12 GLY 149 H -0.00 0.45 -0.31 -0.55 8.43 8.02 2kf2A12 GLY 149 HA2 -0.00 0.03 0.69 -0.51 4.01 4.22 2kf2A12 GLY 149 HA3 -0.00 0.01 0.30 -0.51 4.01 3.80 2kf2A12 GLU 150 H 0.00 0.33 -0.16 -0.55 8.60 8.23 2kf2A12 GLU 150 HA 0.00 -0.01 0.47 -0.75 4.29 3.99 2kf2A12 GLU 150 HB2 0.00 0.01 0.16 -0.04 2.09 2.22 2kf2A12 GLU 150 HB3 0.00 0.08 0.29 -0.04 1.99 2.32 2kf2A12 GLU 150 HG2 0.00 -0.01 -0.26 -0.04 2.34 2.03 2kf2A12 GLU 150 HG3 0.00 -0.07 0.03 -0.04 2.34 2.26 2kf2A12 ARG 151 H 0.01 0.81 0.13 -0.55 8.46 8.86 2kf2A12 ARG 151 HA 0.00 0.09 0.93 -0.75 4.34 4.61 2kf2A12 ARG 151 HB2 0.01 0.08 0.12 -0.04 1.90 2.07 2kf2A12 ARG 151 HB3 0.01 -0.03 -0.01 -0.04 1.80 1.73 2kf2A12 ARG 151 HG2 0.01 -0.01 -0.02 -0.04 1.67 1.60 2kf2A12 ARG 151 HG3 0.01 -0.04 -0.22 -0.04 1.67 1.38 2kf2A12 ARG 151 HD2 0.01 -0.02 -0.03 -0.04 3.22 3.14 2kf2A12 ARG 151 HD3 0.01 -0.03 -0.03 -0.04 3.22 3.13 2kf2A12 ARG 152 H 0.00 0.14 0.13 -0.55 8.46 8.18 2kf2A12 ARG 152 HA 0.01 0.25 0.93 -0.75 4.34 4.78 2kf2A12 ARG 152 HB2 0.00 -0.07 0.02 -0.04 1.90 1.80 2kf2A12 ARG 152 HB3 0.00 -0.15 0.17 -0.04 1.80 1.78 2kf2A12 ARG 152 HG2 0.00 0.40 -0.11 -0.04 1.67 1.93 2kf2A12 ARG 152 HG3 0.00 -0.01 -0.66 -0.04 1.67 0.96 2kf2A12 ARG 152 HD2 0.00 -0.10 -0.04 -0.04 3.22 3.04 2kf2A12 ARG 152 HD3 0.00 -0.10 0.01 -0.04 3.22 3.09 2kf2A12 THR 153 H 0.00 0.17 0.17 -0.55 8.28 8.08 2kf2A12 THR 153 HA 0.00 0.08 0.42 -0.75 4.39 4.14 2kf2A12 THR 153 HB 0.00 0.08 0.08 -0.04 4.32 4.44 2kf2A12 THR 153 HG23 -0.00 -0.00 0.06 -0.04 1.22 1.24 2kf2A12 ALA 154 H 0.00 -0.06 -0.30 -0.55 8.40 7.49 2kf2A12 ALA 154 HA -0.00 0.03 0.21 -0.75 4.34 3.83 2kf2A12 ALA 154 HB3 -0.00 0.05 -0.03 -0.04 1.41 1.39 2kf2A12 SER 155 H -0.01 0.17 -0.00 -0.55 8.46 8.07 2kf2A12 SER 155 HA -0.01 0.19 0.71 -0.75 4.49 4.62 2kf2A12 SER 155 HB2 -0.00 0.05 -0.18 -0.04 3.95 3.78 2kf2A12 SER 155 HB3 -0.00 -0.02 0.14 -0.04 3.93 4.01 2kf2A12 VAL 156 H -0.01 0.26 -0.03 -0.55 8.24 7.91 2kf2A12 VAL 156 HA -0.02 0.14 0.98 -0.75 4.13 4.48 2kf2A12 VAL 156 HB -0.03 0.03 0.12 -0.04 2.12 2.20 2kf2A12 VAL 156 HG13 -0.04 0.00 -0.15 -0.04 0.97 0.75 2kf2A12 VAL 156 HG23 -0.02 0.01 -0.06 -0.04 0.95 0.84 2kf2A12 LEU 157 H -0.01 0.19 0.10 -0.55 8.37 8.10 2kf2A12 LEU 157 HA -0.02 0.13 0.53 -0.75 4.35 4.24 2kf2A12 LEU 157 HB2 0.01 -0.01 0.10 -0.04 1.64 1.70 2kf2A12 LEU 157 HB3 0.02 0.01 0.03 -0.04 1.64 1.65 2kf2A12 LEU 157 HG 0.00 0.05 -0.03 -0.04 1.64 1.62 2kf2A12 LEU 157 HD13 0.01 0.00 -0.00 -0.04 0.93 0.90 2kf2A12 LEU 157 HD23 -0.00 0.00 -0.15 -0.04 0.89 0.70 2kf2A12 ALA 158 H -0.02 0.15 0.12 -0.55 8.40 8.11 2kf2A12 ALA 158 HA -0.10 0.12 0.52 -0.75 4.34 4.13 2kf2A12 ALA 158 HB3 -0.02 0.06 -0.04 -0.04 1.41 1.37 2kf2A12 ASP 159 H -0.13 0.03 0.20 -0.55 8.40 7.95 2kf2A12 ASP 159 HA -0.04 0.21 0.85 -0.75 4.63 4.89 2kf2A12 ASP 159 HB2 -0.08 0.04 -0.03 -0.04 2.71 2.60 2kf2A12 ASP 159 HB3 -0.13 -0.03 0.06 -0.04 2.70 2.56 2kf2A12 LEU 160 H -0.12 -0.06 0.21 -0.55 8.37 7.85 2kf2A12 LEU 160 HA -0.02 0.23 0.86 -0.75 4.35 4.67 2kf2A12 LEU 160 HB2 -0.12 0.04 0.04 -0.04 1.64 1.56 2kf2A12 LEU 160 HB3 -0.19 -0.13 0.12 -0.04 1.64 1.40 2kf2A12 LEU 160 HG -0.19 -0.05 -0.21 -0.04 1.64 1.14 2kf2A12 LEU 160 HD13 -0.56 0.01 -0.07 -0.04 0.93 0.27 2kf2A12 LEU 160 HD23 -0.23 0.05 0.03 -0.04 0.89 0.70 2kf2A12 GLU 161 H 0.17 0.09 0.13 -0.55 8.60 8.45 2kf2A12 GLU 161 HA 0.18 0.22 0.52 -0.75 4.29 4.45 2kf2A12 GLU 161 HB2 0.22 -0.19 0.09 -0.04 2.09 2.17 2kf2A12 GLU 161 HB3 0.17 0.01 0.19 -0.04 1.99 2.31 2kf2A12 GLU 161 HG2 0.11 0.07 0.05 -0.04 2.34 2.53 2kf2A12 GLU 161 HG3 0.13 0.07 0.01 -0.04 2.34 2.50 2kf2A12 HIS 162 H 0.31 0.12 0.17 -0.55 8.41 8.47 2kf2A12 HIS 162 HA 0.13 0.50 0.53 -0.75 4.63 5.03 2kf2A12 HIS 162 HB2 0.10 -0.09 0.12 -0.04 3.26 3.34 2kf2A12 HIS 162 HB3 0.12 0.08 0.04 -0.04 3.20 3.40 2kf2A12 HIS 162 HD2 0.05 -0.10 -0.03 -0.04 6.97 6.84 2kf2A12 HIS 162 HE1 -0.00 -0.00 0.01 -0.04 7.75 7.72 2kf2A12 HIS 163 H 0.28 -0.04 -0.04 -0.55 8.41 8.08 2kf2A12 HIS 163 HA 0.09 0.21 0.64 -0.75 4.63 4.81 2kf2A12 HIS 163 HB2 0.06 0.02 0.05 -0.04 3.26 3.35 2kf2A12 HIS 163 HB3 0.06 -0.07 0.02 -0.04 3.20 3.17 2kf2A12 HIS 163 HD2 -0.03 -0.02 -0.17 -0.04 6.97 6.70 2kf2A12 HIS 163 HE1 -0.03 0.01 0.00 -0.04 7.75 7.69 2kf2A12 HIS 164 H 0.26 -0.14 -0.43 -0.55 8.41 7.57 2kf2A12 HIS 164 HA 0.01 0.14 0.48 -0.75 4.63 4.50 2kf2A12 HIS 164 HB2 0.10 -0.09 0.08 -0.04 3.26 3.30 2kf2A12 HIS 164 HB3 0.08 0.01 0.05 -0.04 3.20 3.30 2kf2A12 HIS 164 HD2 0.03 0.05 0.06 -0.04 6.97 7.06 2kf2A12 HIS 164 HE1 0.03 0.03 0.01 -0.04 7.75 7.77 2kf2A12 HIS 165 H 0.20 0.59 -0.21 -0.55 8.41 8.44 2kf2A12 HIS 165 HA 0.02 0.12 0.81 -0.75 4.63 4.82 2kf2A12 HIS 165 HB2 -0.09 -0.06 -0.05 -0.04 3.26 3.03 2kf2A12 HIS 165 HB3 -0.08 0.13 0.08 -0.04 3.20 3.29 2kf2A12 HIS 165 HD2 -0.17 0.08 -0.21 -0.04 6.97 6.62 2kf2A12 HIS 165 HE1 -0.03 0.04 -0.01 -0.04 7.75 7.70 2kf2A12 HIS 166 H -0.09 0.14 -0.07 -0.55 8.41 7.84 2kf2A12 HIS 166 HA -0.02 0.44 0.35 -0.75 4.63 4.64 2kf2A12 HIS 166 HB2 -0.08 0.03 0.06 -0.04 3.26 3.23 2kf2A12 HIS 166 HB3 -0.10 -0.06 0.08 -0.04 3.20 3.09 2kf2A12 HIS 166 HD2 0.06 0.09 0.07 -0.04 6.97 7.14 2kf2A12 HIS 166 HE1 -0.00 -0.02 -0.02 -0.04 7.75 7.66 2kf2A12 HIS 167 H -0.29 0.05 -0.13 -0.55 8.41 7.49 2kf2A12 HIS 167 HA -0.11 0.16 0.17 -0.75 4.63 4.11 2kf2A12 HIS 167 HB2 -0.32 0.22 -0.24 -0.04 3.26 2.88 2kf2A12 HIS 167 HB3 -0.20 -0.05 -0.06 -0.04 3.20 2.85 2kf2A12 HIS 167 HD2 -0.04 -0.03 0.03 -0.04 6.97 6.89 2kf2A12 HIS 167 HE1 -0.03 -0.02 0.02 -0.04 7.75 7.69